Changeset 516
- Timestamp:
- Mar 7, 2012 1:27:17 PM (12 years ago)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
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trunk/help/gsasII.html
r515 r516 25 25 <o:Author>Von Dreele</o:Author> 26 26 <o:LastAuthor>Von Dreele</o:LastAuthor> 27 <o:Revision>6 4</o:Revision>28 <o:TotalTime>2 433</o:TotalTime>27 <o:Revision>66</o:Revision> 28 <o:TotalTime>2503</o:TotalTime> 29 29 <o:Created>2011-11-28T16:49:00Z</o:Created> 30 <o:LastSaved>2012-03-0 6T18:26:00Z</o:LastSaved>30 <o:LastSaved>2012-03-07T17:46:00Z</o:LastSaved> 31 31 <o:Pages>7</o:Pages> 32 <o:Words>5 264</o:Words>33 <o:Characters>3 0011</o:Characters>32 <o:Words>5534</o:Words> 33 <o:Characters>31548</o:Characters> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 <o:Lines>2 50</o:Lines>36 <o:Paragraphs>7 0</o:Paragraphs>37 <o:CharactersWithSpaces>3 5205</o:CharactersWithSpaces>35 <o:Lines>262</o:Lines> 36 <o:Paragraphs>74</o:Paragraphs> 37 <o:CharactersWithSpaces>37008</o:CharactersWithSpaces> 38 38 <o:Version>12.00</o:Version> 39 39 </o:DocumentProperties> … … 429 429 font-weight:bold;} 430 430 h4 431 {mso-style-noshow:yes; 432 mso-style-priority:9; 431 {mso-style-priority:9; 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1292 mso-level-number-position:left; 1293 text-indent:-.25in;} 1294 @list l12:level3 1295 {mso-level-tab-stop:1.5in; 1296 mso-level-number-position:left; 1297 text-indent:-.25in;} 1298 @list l12:level4 1299 {mso-level-tab-stop:2.0in; 1300 mso-level-number-position:left; 1301 text-indent:-.25in;} 1302 @list l12:level5 1303 {mso-level-tab-stop:2.5in; 1304 mso-level-number-position:left; 1305 text-indent:-.25in;} 1306 @list l12:level6 1307 {mso-level-tab-stop:3.0in; 1308 mso-level-number-position:left; 1309 text-indent:-.25in;} 1310 @list l12:level7 1311 {mso-level-tab-stop:3.5in; 1312 mso-level-number-position:left; 1313 text-indent:-.25in;} 1314 @list l12:level8 1315 {mso-level-tab-stop:4.0in; 1316 mso-level-number-position:left; 1317 text-indent:-.25in;} 1318 @list l12:level9 1319 {mso-level-tab-stop:4.5in; 1320 mso-level-number-position:left; 1266 1321 text-indent:-.25in;} 1267 1322 @list l13 1268 {mso-list-id:1 162892763;1323 {mso-list-id:1326516832; 1269 1324 mso-list-type:hybrid; 1270 mso-list-template-ids: 2091276960 -198414081667698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1325 mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1271 1326 @list l13:level1 1272 {mso-level-number-format:alpha-lower; 1273 mso-level-tab-stop:none; 1274 mso-level-number-position:left; 1275 margin-left:1.0in; 1327 {mso-level-tab-stop:none; 1328 mso-level-number-position:left; 1276 1329 text-indent:-.25in;} 1277 1330 @list l13:level2 … … 1308 1361 text-indent:-.25in;} 1309 1362 @list l14 1310 {mso-list-id:1 323200535;1363 {mso-list-id:1453328047; 1311 1364 mso-list-type:hybrid; 1312 mso-list-template-ids: -720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1365 mso-list-template-ids:768896778 -756651182 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1313 1366 @list l14:level1 1314 1367 {mso-level-number-format:alpha-lower; … … 1316 1369 mso-level-number-position:left; 1317 1370 margin-left:1.0in; 1318 text-indent:-.25in;} 1371 text-indent:-.25in; 1372 mso-ansi-font-weight:normal;} 1319 1373 @list l14:level2 1320 1374 {mso-level-tab-stop:1.0in; … … 1350 1404 text-indent:-.25in;} 1351 1405 @list l15 1352 {mso-list-id:1 326516832;1406 {mso-list-id:1602683002; 1353 1407 mso-list-type:hybrid; 1354 mso-list-template-ids:1 43394244867698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1408 mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1355 1409 @list l15:level1 1356 1410 {mso-level-tab-stop:none; … … 1358 1412 text-indent:-.25in;} 1359 1413 @list l15:level2 1360 {mso-level-tab-stop:1.0in; 1414 {mso-level-number-format:alpha-lower; 1415 mso-level-tab-stop:none; 1361 1416 mso-level-number-position:left; 1362 1417 text-indent:-.25in;} … … 1390 1445 text-indent:-.25in;} 1391 1446 @list l16 1392 {mso-list-id:1 453328047;1447 {mso-list-id:1669404025; 1393 1448 mso-list-type:hybrid; 1394 mso-list-template-ids: 768896778 -75665118267698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1449 mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1395 1450 @list l16:level1 1396 1451 {mso-level-number-format:alpha-lower; … … 1405 1460 text-indent:-.25in;} 1406 1461 @list l16:level3 1407 {mso-level-tab-stop:1.5in; 1408 mso-level-number-position:left; 1462 {mso-level-tab-stop:112.5pt; 1463 mso-level-number-position:left; 1464 margin-left:112.5pt; 1409 1465 text-indent:-.25in;} 1410 1466 @list l16:level4 … … 1433 1489 text-indent:-.25in;} 1434 1490 @list l17 1435 {mso-list-id:1602683002; 1436 mso-list-type:hybrid; 1437 mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1491 {mso-list-id:1753089587; 1492 mso-list-template-ids:1555050902;} 1438 1493 @list l17:level1 1439 1494 {mso-level-tab-stop:none; … … 1441 1496 text-indent:-.25in;} 1442 1497 @list l17:level2 1443 {mso-level-number-format:alpha-lower; 1444 mso-level-tab-stop:none; 1498 {mso-level-tab-stop:1.0in; 1445 1499 mso-level-number-position:left; 1446 1500 text-indent:-.25in;} … … 1474 1528 text-indent:-.25in;} 1475 1529 @list l18 1476 {mso-list-id:1669404025; 1477 mso-list-type:hybrid; 1478 mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1530 {mso-list-id:2029942403; 1531 mso-list-template-ids:1555050902;} 1479 1532 @list l18:level1 1480 {mso-level-number-format:alpha-lower; 1481 mso-level-tab-stop:none; 1482 mso-level-number-position:left; 1483 margin-left:1.0in; 1484 text-indent:-.25in; 1485 mso-ansi-font-weight:normal;} 1533 {mso-level-tab-stop:none; 1534 mso-level-number-position:left; 1535 text-indent:-.25in;} 1486 1536 @list l18:level2 1487 1537 {mso-level-tab-stop:1.0in; … … 1489 1539 text-indent:-.25in;} 1490 1540 @list l18:level3 1491 {mso-level-tab-stop:112.5pt; 1492 mso-level-number-position:left; 1493 margin-left:112.5pt; 1541 {mso-level-tab-stop:1.5in; 1542 mso-level-number-position:left; 1494 1543 text-indent:-.25in;} 1495 1544 @list l18:level4 … … 1518 1567 text-indent:-.25in;} 1519 1568 @list l19 1520 {mso-list-id:1753089587;1521 mso-list-template-ids:1555050902;}1522 @list l19:level11523 {mso-level-tab-stop:none;1524 mso-level-number-position:left;1525 text-indent:-.25in;}1526 @list l19:level21527 {mso-level-tab-stop:1.0in;1528 mso-level-number-position:left;1529 text-indent:-.25in;}1530 @list l19:level31531 {mso-level-tab-stop:1.5in;1532 mso-level-number-position:left;1533 text-indent:-.25in;}1534 @list l19:level41535 {mso-level-tab-stop:2.0in;1536 mso-level-number-position:left;1537 text-indent:-.25in;}1538 @list l19:level51539 {mso-level-tab-stop:2.5in;1540 mso-level-number-position:left;1541 text-indent:-.25in;}1542 @list l19:level61543 {mso-level-tab-stop:3.0in;1544 mso-level-number-position:left;1545 text-indent:-.25in;}1546 @list l19:level71547 {mso-level-tab-stop:3.5in;1548 mso-level-number-position:left;1549 text-indent:-.25in;}1550 @list l19:level81551 {mso-level-tab-stop:4.0in;1552 mso-level-number-position:left;1553 text-indent:-.25in;}1554 @list l19:level91555 {mso-level-tab-stop:4.5in;1556 mso-level-number-position:left;1557 text-indent:-.25in;}1558 @list l201559 {mso-list-id:2029942403;1560 mso-list-template-ids:1555050902;}1561 @list l20:level11562 {mso-level-tab-stop:none;1563 mso-level-number-position:left;1564 text-indent:-.25in;}1565 @list l20:level21566 {mso-level-tab-stop:1.0in;1567 mso-level-number-position:left;1568 text-indent:-.25in;}1569 @list l20:level31570 {mso-level-tab-stop:1.5in;1571 mso-level-number-position:left;1572 text-indent:-.25in;}1573 @list l20:level41574 {mso-level-tab-stop:2.0in;1575 mso-level-number-position:left;1576 text-indent:-.25in;}1577 @list l20:level51578 {mso-level-tab-stop:2.5in;1579 mso-level-number-position:left;1580 text-indent:-.25in;}1581 @list l20:level61582 {mso-level-tab-stop:3.0in;1583 mso-level-number-position:left;1584 text-indent:-.25in;}1585 @list l20:level71586 {mso-level-tab-stop:3.5in;1587 mso-level-number-position:left;1588 text-indent:-.25in;}1589 @list l20:level81590 {mso-level-tab-stop:4.0in;1591 mso-level-number-position:left;1592 text-indent:-.25in;}1593 @list l20:level91594 {mso-level-tab-stop:4.5in;1595 mso-level-number-position:left;1596 text-indent:-.25in;}1597 @list l211598 1569 {mso-list-id:2095858496; 1599 1570 mso-list-type:hybrid; 1600 1571 mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1601 @list l 21:level11572 @list l19:level1 1602 1573 {mso-level-tab-stop:none; 1603 1574 mso-level-number-position:left; 1604 1575 text-indent:-.25in;} 1605 @list l 21:level21576 @list l19:level2 1606 1577 {mso-level-tab-stop:1.0in; 1607 1578 mso-level-number-position:left; 1608 1579 text-indent:-.25in;} 1609 @list l 21:level31580 @list l19:level3 1610 1581 {mso-level-tab-stop:1.5in; 1611 1582 mso-level-number-position:left; 1612 1583 text-indent:-.25in;} 1613 @list l 21:level41584 @list l19:level4 1614 1585 {mso-level-tab-stop:2.0in; 1615 1586 mso-level-number-position:left; 1616 1587 text-indent:-.25in;} 1617 @list l 21:level51588 @list l19:level5 1618 1589 {mso-level-tab-stop:2.5in; 1619 1590 mso-level-number-position:left; 1620 1591 text-indent:-.25in;} 1621 @list l 21:level61592 @list l19:level6 1622 1593 {mso-level-tab-stop:3.0in; 1623 1594 mso-level-number-position:left; 1624 1595 text-indent:-.25in;} 1625 @list l 21:level71596 @list l19:level7 1626 1597 {mso-level-tab-stop:3.5in; 1627 1598 mso-level-number-position:left; 1628 1599 text-indent:-.25in;} 1629 @list l 21:level81600 @list l19:level8 1630 1601 {mso-level-tab-stop:4.0in; 1631 1602 mso-level-number-position:left; 1632 1603 text-indent:-.25in;} 1633 @list l21:level9 1634 {mso-level-tab-stop:4.5in; 1635 mso-level-number-position:left; 1636 text-indent:-.25in;} 1637 @list l22 1638 {mso-list-id:2096583681; 1639 mso-list-type:hybrid; 1640 mso-list-template-ids:-17298958 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1641 @list l22:level1 1642 {mso-level-tab-stop:none; 1643 mso-level-number-position:left; 1644 text-indent:-.25in;} 1645 @list l22:level2 1646 {mso-level-number-format:alpha-lower; 1647 mso-level-tab-stop:1.0in; 1648 mso-level-number-position:left; 1649 text-indent:-.25in;} 1650 @list l22:level3 1651 {mso-level-tab-stop:1.5in; 1652 mso-level-number-position:left; 1653 text-indent:-.25in;} 1654 @list l22:level4 1655 {mso-level-tab-stop:2.0in; 1656 mso-level-number-position:left; 1657 text-indent:-.25in;} 1658 @list l22:level5 1659 {mso-level-tab-stop:2.5in; 1660 mso-level-number-position:left; 1661 text-indent:-.25in;} 1662 @list l22:level6 1663 {mso-level-tab-stop:3.0in; 1664 mso-level-number-position:left; 1665 text-indent:-.25in;} 1666 @list l22:level7 1667 {mso-level-tab-stop:3.5in; 1668 mso-level-number-position:left; 1669 text-indent:-.25in;} 1670 @list l22:level8 1671 {mso-level-tab-stop:4.0in; 1672 mso-level-number-position:left; 1673 text-indent:-.25in;} 1674 @list l22:level9 1604 @list l19:level9 1675 1605 {mso-level-tab-stop:4.5in; 1676 1606 mso-level-number-position:left; … … 1703 1633 <link href=gsasIIfav.png rel="SHORTCUT ICON"> 1704 1634 <!--[if gte mso 9]><xml> 1705 <o:shapedefaults v:ext="edit" spidmax="1 3314"/>1635 <o:shapedefaults v:ext="edit" spidmax="14338"/> 1706 1636 </xml><![endif]--><!--[if gte mso 9]><xml> 1707 1637 <o:shapelayout v:ext="edit"> … … 1734 1664 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> 1735 1665 <o:lock v:ext="edit" aspectratio="t"/> 1736 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s104 2" type="#_x0000_t75"1666 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1043" type="#_x0000_t75" 1737 1667 alt="GSAS-II logo" style='position:absolute;margin-left:56pt;margin-top:0; 1738 1668 width:96pt;height:96pt;z-index:1;visibility:visible;mso-wrap-style:square; … … 1779 1709 Parameters"</a> item under a ‘PWDR’ entry contains information 1780 1710 about how data were collected, such as the sample temperature <a 1781 href="#Sample_Parameters">(see below)</a>. The arrow keys (up & down) move the1782 selection to successive entries in the data tree; both the data window and the 1783 associated plot (if any) will change.<o:p></o:p></span></p>1711 href="#Sample_Parameters">(see below)</a>. The arrow keys (up & down) move 1712 the selection to successive entries in the data tree; both the data window and 1713 the associated plot (if any) will change.<o:p></o:p></span></p> 1784 1714 1785 1715 <h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4> … … 1789 1719 as outlined below: <o:p></o:p></span></p> 1790 1720 1791 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 10level1 lfo1'><![if !supportLists]><span1721 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span 1792 1722 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1793 1723 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1795 1725 1796 1726 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1797 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1727 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1798 1728 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1799 1729 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1808 1738 1809 1739 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1810 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1740 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1811 1741 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1812 1742 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1819 1749 1820 1750 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1821 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1751 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1822 1752 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1823 1753 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1829 1759 1830 1760 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1831 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1761 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1832 1762 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1833 1763 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1838 1768 1839 1769 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1840 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1770 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1841 1771 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1842 1772 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1847 1777 option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p> 1848 1778 1849 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 10level1 lfo1'><![if !supportLists]><span1779 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span 1850 1780 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1851 1781 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1853 1783 1854 1784 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1855 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1785 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1856 1786 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1857 1787 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1867 1797 1868 1798 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1869 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1799 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1870 1800 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1871 1801 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1880 1810 1881 1811 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1882 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1812 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1883 1813 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1884 1814 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1889 1819 1890 1820 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1891 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1821 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1892 1822 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1893 1823 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1895 1825 1896 1826 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1897 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1827 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1898 1828 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1899 1829 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1901 1831 1902 1832 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1903 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1833 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1904 1834 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 1905 1835 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1907 1837 1908 1838 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1909 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1839 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1910 1840 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 1911 1841 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1913 1843 1914 1844 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1915 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1845 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1916 1846 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 1917 1847 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1919 1849 1920 1850 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1921 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1851 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1922 1852 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 1923 1853 style='font:7.0pt "Times New Roman"'> 1924 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename 1925 data</b>- </p>1926 1927 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1928 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1854 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename data</b> 1855 - </p> 1856 1857 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1858 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1929 1859 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 1930 1860 style='font:7.0pt "Times New Roman"'> … … 1932 1862 data</b> - </p> 1933 1863 1934 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 10level1 lfo1'><![if !supportLists]><span1864 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span 1935 1865 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1936 1866 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1938 1868 1939 1869 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1940 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1870 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1941 1871 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1942 1872 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1943 style='mso-bidi-font-weight:normal'>Make new PDFs</b> - </p> 1944 1945 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1946 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1873 style='mso-bidi-font-weight:normal'>Make new PDFs</b> – This creates the 1874 pair distribution function (PDF) controls for each powder pattern selected in 1875 the dialog box. See <b style='mso-bidi-font-weight:normal'><span 1876 style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF 1877 Controls</a></span></b> for further directions.</p> 1878 1879 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1880 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1947 1881 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1948 1882 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1949 1883 style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b> 1950 - </p> 1951 1952 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1953 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1884 – This shows a dialog box with all the parameters for your project; those 1885 to be refined are flagged ‘True’, otherwise ‘False’. 1886 Blanks indicate parameters that are not <span class=SpellE>refinable</span>. 1887 The total number of refined parameters is also shown at the top of the list. 1888 The value of each parameter is also given. The parameter names are of the form ‘p<span 1889 class=GramE>:h:name:id’</span> where ‘p’ is the phase index, ‘h’ 1890 is the histogram index and ‘id’ is the item index (if needed). 1891 Indexes all begin with ‘0’ (zero). Note that for atom positions the 1892 value is not a <span class=SpellE>refinable</span> parameter, but the shift in 1893 the value is. Position names are, e.g. ‘0:<span class=GramE>:Ax:0’</span> 1894 for the x-position of the <span class=SpellE>zeroth</span> atom in the <span 1895 class=SpellE>zeroth</span> phase while shift names have a ‘d’ in 1896 then, e.g. ‘0::dAx:0’. </p> 1897 1898 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1899 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1954 1900 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1955 1901 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1956 style='mso-bidi-font-weight:normal'>Refine</b> - </p> 1957 1958 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1959 auto;text-indent:-.25in;mso-list:l10 level2 lfo1'><![if !supportLists]><span 1902 style='mso-bidi-font-weight:normal'>Refine</b> – This performs the refinement 1903 (Pawley/Rietveld or single crystal) according to the controls set in the <b 1904 style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b> data 1905 tree item.</p> 1906 1907 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1908 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1960 1909 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1961 1910 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1963 1912 1964 1913 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1965 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1914 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1966 1915 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1967 1916 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1968 1917 style='mso-bidi-font-weight:normal'>Solve</b> - </p> 1969 1918 1970 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 10level1 lfo1'><![if !supportLists]><span1919 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span 1971 1920 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 1972 1921 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1974 1923 1975 1924 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1976 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1925 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 1977 1926 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1978 1927 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1980 1929 1981 1930 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1982 auto;text-indent:-.25in;mso-list:l 10level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span1931 auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1983 1932 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1984 1933 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1986 1935 1987 1936 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1988 auto;text-indent:-.25in;mso-list:l 10level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span1937 auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1989 1938 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1990 1939 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1992 1941 1993 1942 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1994 auto;text-indent:-.25in;mso-list:l 10level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span1943 auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1995 1944 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1996 1945 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1998 1947 1999 1948 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 2000 auto;text-indent:-.25in;mso-list:l 10level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span1949 auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 2001 1950 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2002 1951 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2004 1953 2005 1954 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2006 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1955 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 2007 1956 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2008 1957 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2010 1959 2011 1960 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2012 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1961 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 2013 1962 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2014 1963 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2015 1964 style='mso-bidi-font-weight:normal'>Import HKLs…</b> - </p> 2016 1965 2017 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 10level1 lfo1'><![if !supportLists]><span1966 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span 2018 1967 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2019 1968 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 2021 1970 2022 1971 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2023 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1972 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 2024 1973 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2025 1974 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2027 1976 2028 1977 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2029 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1978 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 2030 1979 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2031 1980 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2033 1982 2034 1983 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2035 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1984 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 2036 1985 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2037 1986 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2039 1988 2040 1989 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2041 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1990 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 2042 1991 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2043 1992 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2045 1994 2046 1995 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2047 auto;text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span1996 auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 2048 1997 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 2049 1998 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2051 2000 2052 2001 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2053 text-indent:-.25in;mso-list:l 10level2 lfo1'><![if !supportLists]><span2002 text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span 2054 2003 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 2055 2004 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2117 2066 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2118 2067 2119 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 5level1 lfo2'><![if !supportLists]><span2068 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span 2120 2069 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2121 2070 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2129 2078 Hessian’ for routine work.<o:p></o:p></span></p> 2130 2079 2131 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 5level1 lfo2'><![if !supportLists]><span2080 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span 2132 2081 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2133 2082 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2139 2088 to 1.0.<o:p></o:p></span></p> 2140 2089 2141 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 5level1 lfo2'><![if !supportLists]><span2090 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span 2142 2091 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2143 2092 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2151 2100 performance.<o:p></o:p></span></p> 2152 2101 2153 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 5level1 lfo2'><![if !supportLists]><span2102 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span 2154 2103 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2155 2104 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2163 2112 cycles.<o:p></o:p></span></p> 2164 2113 2165 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 5level1 lfo2'><![if !supportLists]><span2114 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span 2166 2115 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2167 2116 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2194 2143 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2195 2144 2196 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 7level1 lfo3'><![if !supportLists]><span2145 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo3'><![if !supportLists]><span 2197 2146 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2198 2147 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2201 2150 the ‘Edit menu.<o:p></o:p></span></p> 2202 2151 2203 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 7level1 lfo3'><![if !supportLists]><span2152 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo3'><![if !supportLists]><span 2204 2153 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2205 2154 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2208 2157 2209 2158 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2210 auto;text-indent:-.25in;mso-list:l1 7level2 lfo3'><![if !supportLists]><span2159 auto;text-indent:-.25in;mso-list:l15 level2 lfo3'><![if !supportLists]><span 2211 2160 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2212 2161 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2226 2175 2227 2176 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2228 auto;text-indent:-.25in;mso-list:l1 7level2 lfo3'><![if !supportLists]><span2177 auto;text-indent:-.25in;mso-list:l15 level2 lfo3'><![if !supportLists]><span 2229 2178 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2230 2179 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2245 2194 2246 2195 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2247 auto;text-indent:-.25in;mso-list:l1 7level2 lfo3'><![if !supportLists]><span2196 auto;text-indent:-.25in;mso-list:l15 level2 lfo3'><![if !supportLists]><span 2248 2197 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2249 2198 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2263 2212 2264 2213 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2265 text-indent:-.25in;mso-list:l1 7level2 lfo3'><![if !supportLists]><span2214 text-indent:-.25in;mso-list:l15 level2 lfo3'><![if !supportLists]><span 2266 2215 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2267 2216 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2320 2269 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2321 2270 2322 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 20level1 lfo4'><span2271 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l18 level1 lfo4'><span 2323 2272 style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family: 2324 2273 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> … … 2327 2276 2328 2277 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2329 text-indent:-.25in;mso-list:l1 8level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span2278 text-indent:-.25in;mso-list:l16 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span 2330 2279 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2331 2280 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2333 2282 style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'> 2334 2283 – this produces a ‘normal probability’ plot for the 2335 refinement result as bounded by the limits. The slope and intercept of the curve2336 in the central region (-1 < </span></span><span style='mso-bookmark:Comments'><span 2337 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span2284 refinement result as bounded by the limits. The slope and intercept of the 2285 curve in the central region (-1 < </span></span><span style='mso-bookmark: 2286 Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span 2338 2287 style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span 2339 2288 style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family: 2340 2289 "Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span 2341 style='mso-fareast-font-family:"Times New Roman"'> < 1) are shown on the plot2342 status line. The slope is the square root of GOF for the best fit set of data 2343 points (~68% of the data).<o:p></o:p></span></span></p>2290 style='mso-fareast-font-family:"Times New Roman"'> < 1) are shown on the 2291 plot status line. The slope is the square root of GOF for the best fit set of 2292 data points (~68% of the data).<o:p></o:p></span></span></p> 2344 2293 2345 2294 <h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4> … … 2348 2297 whatever comment lines (preceded by “#”) found when the powder data 2349 2298 file was read by GSAS-II. If you are lucky, there will be useful information 2350 here (e.g. sample name, date collected, wavelength used, etc.). If not, this 2351 wi ndow will be blank. The text is read-only in that anything you try to enter2352 here isnot saved.</span></p>2299 here (e.g. sample name, date collected, wavelength used, etc.). If not, this window 2300 will be blank. The text is read-only in that anything you try to enter here is 2301 not saved.</span></p> 2353 2302 2354 2303 <span style='mso-bookmark:Comments'></span> … … 2365 2314 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2366 2315 2367 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 4 level1 lfo24'><![if !supportLists]><span2316 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span 2368 2317 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2369 2318 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2376 2325 new value.<o:p></o:p></span></p> 2377 2326 2378 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 4 level1 lfo24'><![if !supportLists]><span2327 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span 2379 2328 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2380 2329 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2386 2335 ‘changed’ row will be updated immediately.<o:p></o:p></span></p> 2387 2336 2388 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 4 level1 lfo24'><![if !supportLists]><span2337 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span 2389 2338 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2390 2339 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2393 2342 2394 2343 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2395 text-indent:-.25in;mso-list:l 4 level2 lfo24;tab-stops:list 1.0in'><![if !supportLists]><span2344 text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span 2396 2345 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2397 2346 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2401 2350 Parameters) will appear showing the list of available powder patterns, you can 2402 2351 copy the limits parameters to any or all of them; select ‘All’ to 2403 copy them to all patterns. Then select ‘OK’ to do the copy; ‘Cancel’2404 to cancel the operation.<o:p></o:p></span></p>2352 copy them to all patterns. Then select ‘OK’ to do the copy; 2353 ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> 2405 2354 2406 2355 <h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4> … … 2459 2408 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/> 2460 2409 </v:shape><![endif]--><![if !vml]><img width=178 height=51 2461 src="gsasII_files/image00 2.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span2410 src="gsasII_files/image005.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 2462 2411 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count: 2463 2412 1'> </span><o:p></o:p></span></p> … … 2480 2429 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2481 2430 2482 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 9 level1 lfo6'><![if !supportLists]><span2431 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span 2483 2432 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2484 2433 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2487 2436 2488 2437 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2489 auto;text-indent:-.25in;mso-list:l 3 level1 lfo7'><![if !supportLists]><span2438 auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span 2490 2439 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2491 2440 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2492 2441 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span 2493 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 2494 background parameters shown to other selected powder patterns. If used, a 2495 dialog box (Copy Parameters) will appear showing the list of available powder 2496 patterns, you can copy the background parameters to any or all of them; select 2497 ‘All’ to copy them to all patterns. Then select ‘OK’ to 2498 do the copy;‘Cancel’ to cancel the operation.<o:p></o:p></span></p>2499 2500 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 9 level1 lfo6'><![if !supportLists]><span2442 style='mso-fareast-font-family:"Times New Roman"'> – this copies the background 2443 parameters shown to other selected powder patterns. If used, a dialog box (Copy 2444 Parameters) will appear showing the list of available powder patterns, you can 2445 copy the background parameters to any or all of them; select ‘All’ 2446 to copy them to all patterns. Then select ‘OK’ to do the copy; 2447 ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> 2448 2449 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span 2501 2450 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2502 2451 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2504 2453 Background function from the pull down tab.<o:p></o:p></span></p> 2505 2454 2506 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 9 level1 lfo6'><![if !supportLists]><span2455 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span 2507 2456 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2508 2457 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2510 2459 refine the background coefficients.<o:p></o:p></span></p> 2511 2460 2512 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 9 level1 lfo6'><![if !supportLists]><span2461 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span 2513 2462 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2514 2463 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2515 style='mso-fareast-font-family:"Times New Roman"'>You can select the number of 2516 backgroundcoefficients to be used (1-36).<o:p></o:p></span></p>2517 2518 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 9 level1 lfo6'><![if !supportLists]><span2464 style='mso-fareast-font-family:"Times New Roman"'>You can select the number of background 2465 coefficients to be used (1-36).<o:p></o:p></span></p> 2466 2467 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span 2519 2468 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2520 2469 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2521 style='mso-fareast-font-family:"Times New Roman"'>You can change individual background2522 coefficient values. Enter the value then press Enter or click the mouse2523 elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>2524 2525 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 9 level1 lfo6'><![if !supportLists]><span2470 style='mso-fareast-font-family:"Times New Roman"'>You can change individual 2471 background coefficient values. Enter the value then press Enter or click the 2472 mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p> 2473 2474 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span 2526 2475 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span 2527 2476 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2528 2477 style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more 2529 Debye scattering terms into the background. For each one you should enter a sensible2530 value for ‘R’ – an expected <span class=SpellE>interatomic</span>2478 Debye scattering terms into the background. For each one you should enter a 2479 sensible value for ‘R’ – an expected <span class=SpellE>interatomic</span> 2531 2480 distance in an amorphous phase is appropriate. Select parameters to refine; 2532 2481 usually start with the ‘A’ coefficients.<o:p></o:p></span></p> 2533 2482 2534 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 9 level1 lfo6'><![if !supportLists]><span2483 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span 2535 2484 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span 2536 2485 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2549 2498 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2550 2499 2551 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 8 level1 lfo8'><![if !supportLists]><span2500 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo9'><![if !supportLists]><span 2552 2501 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2553 2502 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2556 2505 2557 2506 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2558 auto;text-indent:-.25in;mso-list:l1 6 level1 lfo9'><![if !supportLists]><span2507 auto;text-indent:-.25in;mso-list:l14 level1 lfo10'><![if !supportLists]><span 2559 2508 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2560 2509 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2565 2514 2566 2515 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2567 auto;text-indent:-.25in;mso-list:l1 6 level1 lfo9'><![if !supportLists]><span2516 auto;text-indent:-.25in;mso-list:l14 level1 lfo10'><![if !supportLists]><span 2568 2517 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2569 2518 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2570 2519 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span 2571 2520 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 2572 instrument parameters shown to other selected powder patterns. If used, a dialog2573 box (Copy Parameters) will appear showing the list of available powder2521 instrument parameters shown to other selected powder patterns. If used, a 2522 dialog box (Copy Parameters) will appear showing the list of available powder 2574 2523 patterns, you can copy the instrument parameters to any or all of them; select 2575 2524 ‘All’ to copy them to all patterns. Then select ‘OK’ to … … 2577 2526 2578 2527 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2579 auto;text-indent:-.25in;mso-list:l1 6 level1 lfo9'><![if !supportLists]><span2528 auto;text-indent:-.25in;mso-list:l14 level1 lfo10'><![if !supportLists]><span 2580 2529 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2581 2530 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2592 2541 laboratory tube source).<o:p></o:p></span></p> 2593 2542 2594 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 8 level1 lfo8'><![if !supportLists]><span2543 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo9'><![if !supportLists]><span 2595 2544 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2596 2545 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2598 2547 profile coefficients<o:p></o:p></span></p> 2599 2548 2600 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 8 level1 lfo8'><![if !supportLists]><span2549 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo9'><![if !supportLists]><span 2601 2550 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2602 2551 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2616 2565 window... <o:p></o:p></span></p> 2617 2566 2618 <h5><a name="P eak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:2619 P eak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I2620 do here?<o:p></o:p></span></span></a></h5>2621 2622 <h4><span style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><span2567 <h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark: 2568 Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can 2569 I do here?<o:p></o:p></span></span></a></h5> 2570 2571 <h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 2623 2572 style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span 2624 2573 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> … … 2626 2575 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2627 2576 window shows the list of peaks that will be used by the peak fitting 2628 refinement. It is filled by picking peaks in the powder pattern displayed in the 2629 GSASII Plots window as a sequence of ‘+’ marks. <o:p></o:p></span></p> 2577 refinement. It is filled by picking peaks in the powder pattern displayed in 2578 the GSASII Plots window as a sequence of ‘+’ marks.<o:p></o:p></span></p> 2579 2580 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> 2630 2581 2631 2582 <h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span 2632 2583 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What 2633 can I do here?<o:p></o:p></span></span></h5> 2584 can I do here? <o:p></o:p></span></span></h5> 2585 2586 <h5><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family: 2587 "Times New Roman"'><o:p> </o:p></span></span></h5> 2634 2588 2635 2589 <h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family: … … 2650 2604 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2651 2605 2652 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 21 level1 lfo10'><![if !supportLists]><span2606 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo11'><![if !supportLists]><span 2653 2607 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2654 2608 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2665 2619 table to the position shown here.<o:p></o:p></span></p> 2666 2620 2667 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 21 level1 lfo10'><![if !supportLists]><span2621 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo11'><![if !supportLists]><span 2668 2622 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2669 2623 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2741 2695 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2742 2696 2743 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 1 level1 lfo11'><![if !supportLists]><span2697 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span 2744 2698 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2745 2699 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2749 2703 2750 2704 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2751 auto;text-indent:-.25in;mso-list:l 1 level2 lfo11'><![if !supportLists]><span2705 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span 2752 2706 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2753 2707 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2756 2710 compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p> 2757 2711 2758 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 1 level1 lfo11'><![if !supportLists]><span2712 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span 2759 2713 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2760 2714 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2764 2718 2765 2719 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2766 auto;text-indent:-.25in;mso-list:l 1 level2 lfo11'><![if !supportLists]><span2720 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span 2767 2721 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2768 2722 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2773 2727 2774 2728 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2775 auto;text-indent:-.25in;mso-list:l 1 level2 lfo11'><![if !supportLists]><span2729 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span 2776 2730 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2777 2731 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2782 2736 2783 2737 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2784 auto;text-indent:-.25in;mso-list:l 1 level2 lfo11'><![if !supportLists]><span2738 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span 2785 2739 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2786 2740 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2787 2741 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space 2788 2742 group</span></b><span style='mso-fareast-font-family:"Times New Roman"'> 2789 – this should be set when the phase is initialized; it can be changed 2790 later. Be careful about the impact on Atom site symmetry and multiplicity if 2791 you do. GSAS-II will recognize any legal space group symbol using the short 2792 Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial 2793 fields (e.g. ‘F d 3 m’ not ‘Fd3m’). For space groups 2794 with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup> 2795 setting where the center of inversion is located at the origin. The choice of 2796 space groupwill set the available unit cell parameters.<u><o:p></o:p></u></span></p>2797 2798 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2799 auto;text-indent:-.25in;mso-list:l 1 level2 lfo11'><![if !supportLists]><span2743 – this should be set when the phase is initialized; it can be changed later. 2744 Be careful about the impact on Atom site symmetry and multiplicity if you do. 2745 GSAS-II will recognize any legal space group symbol using the short Hermann-<span 2746 class=SpellE>Mauguin</span> forms; put a space between the axial fields (e.g. 2747 ‘F d 3 m’ not ‘Fd3m’). For space groups with a choice 2748 of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup> setting where 2749 the center of inversion is located at the origin. The choice of space group 2750 will set the available unit cell parameters.<u><o:p></o:p></u></span></p> 2751 2752 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2753 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span 2800 2754 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2801 2755 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2898 2852 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/> 2899 2853 </v:shape><![endif]--><![if !vml]><img width=335 height=19 2900 src="gsasII_files/image00 4.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span2854 src="gsasII_files/image006.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span 2901 2855 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p> 2902 2856 2903 2857 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2904 auto;text-indent:-.25in;mso-list:l 1 level2 lfo11'><![if !supportLists]><span2858 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span 2905 2859 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 2906 2860 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2908 2862 "Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span 2909 2863 style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span 2910 style='mso-fareast-font-family:"Times New Roman"'> – lattice parameters; 2911 only those permitted by the space group are shown. The volume is computed from 2912 thevalues entered.<u><o:p></o:p></u></span></p>2913 2914 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 1 level1 lfo11'><![if !supportLists]><span2864 style='mso-fareast-font-family:"Times New Roman"'> – lattice parameters; only 2865 those permitted by the space group are shown. The volume is computed from the 2866 values entered.<u><o:p></o:p></u></span></p> 2867 2868 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span 2915 2869 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2916 2870 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2917 2871 style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the 2918 Atoms page then the Elements table is shown next on the General page; you may select2919 the isotope (only relevant for neutron diffraction experiments). The density is 2920 computed depending on this choice, the unit cell volume and the atom2872 Atoms page then the Elements table is shown next on the General page; you may 2873 select the isotope (only relevant for neutron diffraction experiments). The 2874 density is computed depending on this choice, the unit cell volume and the atom 2921 2875 fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p> 2922 2876 2923 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 1 level1 lfo11'><![if !supportLists]><span2877 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span 2924 2878 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2925 2879 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2966 2920 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2967 2921 2968 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 9 level1 lfo12'><![if !supportLists]><span2922 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span 2969 2923 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2970 2924 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom … … 2977 2931 deselect all atoms.</p> 2978 2932 2979 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9 level1 lfo12'><![if !supportLists]><span2933 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span 2980 2934 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2981 2935 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom … … 2990 2944 anytime during the selection process.</p> 2991 2945 2992 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9 level1 lfo12'><![if !supportLists]><span2946 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span 2993 2947 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2994 2948 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double … … 2998 2952 those atoms to be selected.</p> 2999 2953 3000 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9 level1 lfo12'><![if !supportLists]><span2954 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span 3001 2955 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 3002 2956 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double … … 3010 2964 aren’t rendered and thus the plot will not show any atoms or bonds!</p> 3011 2965 3012 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9 level1 lfo12'><![if !supportLists]><span2966 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span 3013 2967 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 3014 2968 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 3018 2972 3019 2973 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3020 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo13'><![if !supportLists]><span2974 auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span 3021 2975 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3022 2976 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3025 2979 3026 2980 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3027 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo13'><![if !supportLists]><span2981 auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span 3028 2982 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3029 2983 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3033 2987 3034 2988 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3035 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo13'><![if !supportLists]><span2989 auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span 3036 2990 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3037 2991 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3043 2997 3044 2998 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3045 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo13'><![if !supportLists]><span2999 auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span 3046 3000 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3047 3001 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3050 3004 3051 3005 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3052 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo13'><![if !supportLists]><span3006 auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span 3053 3007 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3054 3008 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3055 style='mso-bidi-font-weight:normal'>View point</b> – position the plot 3056 viewpoint to the first atom in the selection.</p>3057 3058 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3059 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo13'><![if !supportLists]><span3009 style='mso-bidi-font-weight:normal'>View point</b> – position the plot view 3010 point to the first atom in the selection.</p> 3011 3012 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3013 auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span 3060 3014 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 3061 3015 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3062 3016 style='mso-bidi-font-weight:normal'>Add atoms</b> – using the selected 3063 3017 atoms, new ones are added to the bottom of the list after applying your choice 3064 of symmetry operator and unit cell translation selected via a dialog display. 3065 Duplicateatom positions are not retained. Any anisotropic thermal displacement3018 of symmetry operator and unit cell translation selected via a dialog display. Duplicate 3019 atom positions are not retained. Any anisotropic thermal displacement 3066 3020 parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p> 3067 3021 3068 3022 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3069 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo13'><![if !supportLists]><span3023 auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span 3070 3024 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 3071 3025 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3076 3030 3077 3031 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3078 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo13'><![if !supportLists]><span3032 auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span 3079 3033 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 3080 3034 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3085 3039 3086 3040 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3087 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo13'><![if !supportLists]><span3041 auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span 3088 3042 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 3089 3043 style='font:7.0pt "Times New Roman"'> … … 3094 3048 3095 3049 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3096 auto;text-indent:-.25in;mso-list:l1 4 level1 lfo13'><![if !supportLists]><span3050 auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span 3097 3051 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 3098 3052 style='font:7.0pt "Times New Roman"'> … … 3102 3056 table, e.g. by a structure refinement.</p> 3103 3057 3104 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9 level1 lfo12'><![if !supportLists]><span3058 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span 3105 3059 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span 3106 3060 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 3111 3065 3112 3066 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3113 auto;text-indent:-.25in;mso-list:l1 3 level1 lfo14'><![if !supportLists]><span3067 auto;text-indent:-.25in;mso-list:l11 level1 lfo15'><![if !supportLists]><span 3114 3068 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3115 3069 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3126 3080 3127 3081 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 3128 text-indent:-.25in;mso-list:l1 3 level1 lfo14'><![if !supportLists]><span3082 text-indent:-.25in;mso-list:l11 level1 lfo15'><![if !supportLists]><span 3129 3083 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3130 3084 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3140 3094 (e.g. all) atoms then Best plane will give Cartesian coordinates for these 3141 3095 atoms with respect to a coordinate system where the X-axis is along the longest 3142 axis of the atom grouping and the Z-axis is along the shortest distance. The 3143 origin is at the <span class=SpellE>unweighted</span> center of the selected 3144 atoms.</p> 3096 axis of the atom grouping and the Z-axis is along the shortest distance. The origin 3097 is at the <span class=SpellE>unweighted</span> center of the selected atoms.</p> 3145 3098 3146 3099 <h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4> … … 3153 3106 <h5>What can I do here?</h5> 3154 3107 3155 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 6 level1 lfo15'><![if !supportLists]><span3108 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo16'><![if !supportLists]><span 3156 3109 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3157 3110 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 3159 3112 3160 3113 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3161 auto;text-indent:-.25in;mso-list:l1 1 level2 lfo16'><![if !supportLists]><span3114 auto;text-indent:-.25in;mso-list:l10 level2 lfo17'><![if !supportLists]><span 3162 3115 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3163 3116 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3171 3124 3172 3125 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3173 auto;text-indent:-.25in;mso-list:l1 1 level2 lfo16'><![if !supportLists]><span3126 auto;text-indent:-.25in;mso-list:l10 level2 lfo17'><![if !supportLists]><span 3174 3127 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3175 3128 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3181 3134 3182 3135 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3183 auto;text-indent:-.25in;mso-list:l1 1 level2 lfo16'><![if !supportLists]><span3136 auto;text-indent:-.25in;mso-list:l10 level2 lfo17'><![if !supportLists]><span 3184 3137 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3185 3138 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3187 3140 set of Pawley reflections.</p> 3188 3141 3189 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 6 level1 lfo15'><![if !supportLists]><span3142 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo16'><![if !supportLists]><span 3190 3143 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3191 3144 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You … … 3197 3150 error in your Pawley refinement.</p> 3198 3151 3199 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l 6 level1 lfo15'><![if !supportLists]><span3152 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l5 level1 lfo16'><![if !supportLists]><span 3200 3153 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3201 3154 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You 3202 3155 can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span 3203 class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it, 3204 typing in the new value and then pressing enter or selecting somewhere else in 3205 t he table.</p>3156 class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it, typing 3157 in the new value and then pressing enter or selecting somewhere else in the 3158 table.</p> 3206 3159 3207 3160 <div class=MsoNormal align=center style='text-align:center'><span … … 3238 3191 <ul type=disc> 3239 3192 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3240 mso-list:l 2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3193 mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family: 3241 3194 "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li> 3242 3195 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3243 mso-list:l 2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3196 mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family: 3244 3197 "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li> 3245 3198 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3246 mso-list:l 2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3199 mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family: 3247 3200 "Times New Roman"'>Forward: reverses the action in the previous press(es) 3248 3201 of the Back button <o:p></o:p></span></li> 3249 3202 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3250 mso-list:l 2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3203 mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family: 3251 3204 "Times New Roman"'>Pan: allows you to control panning across the plot 3252 3205 (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li> 3253 3206 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3254 mso-list:l 2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3207 mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family: 3255 3208 "Times New Roman"'>Zoom: allows you to select a portion of the plot (press 3256 3209 right mouse button & drag for zoom box) for the next plot. <o:p></o:p></span></li> 3257 3210 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3258 mso-list:l 2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3211 mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family: 3259 3212 "Times New Roman"'>Save: allows you to save the currently displayed plot 3260 3213 in one of several graphical formats suitable for printing or insertion in 3261 3214 a document.<o:p></o:p></span></li> 3262 3215 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3263 mso-list:l 2 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:3216 mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family: 3264 3217 "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li> 3265 3218 </ul> … … 3270 3223 the toolbar may be a status bar that on the left may show either an instruction 3271 3224 for a keyed input or a pull down selection of keyed input; on the right may be 3272 displayed position dependent information that is updated as the mouse is moved over3273 the plot region.<o:p></o:p></span></p>3225 displayed position dependent information that is updated as the mouse is moved 3226 over the plot region.<o:p></o:p></span></p> 3274 3227 3275 3228 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> … … 3278 3231 specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p> 3279 3232 3280 <h4><a name="Powder_Patterns"><span style='mso-fareast-font-family:"Times New Roman"'>Powder 3281 Patterns</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> 3233 <h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4> 3282 3234 3283 3235 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The … … 3290 3242 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3291 3243 3292 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 5 level1 lfo23'><![if !supportLists]><span3244 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span 3293 3245 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3294 3246 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3295 style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across 3296 theplot, the plot status line will show the cursor position in 2</span><span3247 style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across the 3248 plot, the plot status line will show the cursor position in 2</span><span 3297 3249 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span 3298 3250 style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the … … 3301 3253 style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p> 3302 3254 3303 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 5 level1 lfo23'><![if !supportLists]><span3255 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span 3304 3256 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3305 3257 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>On 3306 the plot status line<b style='mso-bidi-font-weight:normal'> ‘key press’3307 </b>– you can either press the key on the key board or select from the pull 3308 down menu. For line plots:</p>3309 3310 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3311 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3258 the plot status line<b style='mso-bidi-font-weight:normal'> ‘key 3259 press’ </b>– you can either press the key on the key board or 3260 select from the pull down menu. For line plots:</p> 3261 3262 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3263 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3312 3264 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3313 3265 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3318 3270 3319 3271 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3320 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3272 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3321 3273 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3322 3274 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3323 3275 class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b 3324 style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot of3325 multiple powder profiles, increase the offset to the left. Does not apply if3276 style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot 3277 of multiple powder profiles, increase the offset to the left. Does not apply if 3326 3278 only one pattern.</p> 3327 3279 3328 3280 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3329 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3281 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3330 3282 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3331 3283 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3336 3288 3337 3289 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3338 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3290 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3339 3291 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3340 3292 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3341 3293 class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b 3342 style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of multiple 3343 powder profiles, increase the offset up. Does not apply if only one pattern.</p> 3344 3345 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3346 auto;text-indent:-.25in;mso-list:l5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span 3294 style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of 3295 multiple powder profiles, increase the offset up. Does not apply if only one 3296 pattern.</p> 3297 3298 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3299 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3347 3300 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3348 3301 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3349 3302 class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b 3350 style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot of3351 multiple powder profiles, reset to no offset. Does not apply if only one3303 style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot 3304 of multiple powder profiles, reset to no offset. Does not apply if only one 3352 3305 pattern.</p> 3353 3306 3354 3307 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3355 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3308 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3356 3309 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 3357 3310 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3362 3315 3363 3316 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3364 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3317 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3365 3318 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 3366 3319 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3367 3320 class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b 3368 3321 style='mso-bidi-font-weight:normal'>: contour on/off</b> – if multiple 3369 powder profiles, then a contour plot is shown of the observed intensities. All data3370 sets must be the same length as the first one to be included in the contour 3371 plot.</p>3372 3373 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3374 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3322 powder profiles, then a contour plot is shown of the observed intensities. All 3323 data sets must be the same length as the first one to be included in the 3324 contour plot.</p> 3325 3326 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3327 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3375 3328 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 3376 3329 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3381 3334 3382 3335 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3383 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3336 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3384 3337 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 3385 3338 style='font:7.0pt "Times New Roman"'> … … 3390 3343 3391 3344 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3392 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3345 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3393 3346 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 3394 3347 style='font:7.0pt "Times New Roman"'> … … 3400 3353 3401 3354 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3402 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3355 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3403 3356 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span 3404 3357 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3406 3359 profiles, only the observed curve is shown.</p> 3407 3360 3408 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 5 level1 lfo23'><![if !supportLists]><span3361 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span 3409 3362 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3410 3363 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3413 3366 3414 3367 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3415 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3368 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3416 3369 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3417 3370 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3423 3376 3424 3377 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3425 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3378 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3426 3379 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3427 3380 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3431 3384 3432 3385 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3433 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3386 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3434 3387 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3435 3388 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3439 3392 interpolation method</span></b><span style='mso-fareast-font-family:"Times New Roman"'> 3440 3393 – this changes the method used to represent the contours. If selected a 3441 dialog box appears with all the possible choices. Default is ‘nearest’;3442 the other useful choice is ‘bilinear’, this will smooth out the 3443 contours. <o:p></o:p></span></p>3444 3445 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3446 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3394 dialog box appears with all the possible choices. Default is 3395 ‘nearest’; the other useful choice is ‘bilinear’, this 3396 will smooth out the contours. <o:p></o:p></span></p> 3397 3398 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3399 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3447 3400 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3448 3401 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3452 3405 style='mso-fareast-font-family:"Times New Roman"'> – this changes the 3453 3406 color scheme for the contouring. Default is <span class=GramE>‘Paired’,</span> 3454 black/ white options are ‘<span class=SpellE>Greys’</span> and ‘binary’3455 (for black on white) or ‘gray’ (for white on black). Others can be 3456 very colorful (but not useful)!<o:p></o:p></span></p>3457 3458 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3459 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3407 black/ white options are ‘<span class=SpellE>Greys’</span> and 3408 ‘binary’ (for black on white) or ‘gray’ (for white on 3409 black). Others can be very colorful (but not useful)!<o:p></o:p></span></p> 3410 3411 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3412 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3460 3413 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3461 3414 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3463 3416 "Times New Roman"'>c</span></b></span><b style='mso-bidi-font-weight:normal'><span 3464 3417 style='mso-fareast-font-family:"Times New Roman"'>: contour off/on</span></b><span 3465 style='mso-fareast-font-family:"Times New Roman"'> – this turns off 3466 contouringand returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p>3467 3468 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 5 level1 lfo23'><![if !supportLists]><span3418 style='mso-fareast-font-family:"Times New Roman"'> – this turns off contouring 3419 and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p> 3420 3421 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span 3469 3422 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 3470 3423 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3474 3427 3475 3428 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3476 auto;text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3429 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3477 3430 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3478 3431 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3486 3439 3487 3440 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 3488 text-indent:-.25in;mso-list:l 5 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span3441 text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span 3489 3442 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3490 3443 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3505 3458 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3506 3459 3507 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 7 level1 lfo19'><![if !supportLists]><span3460 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo20'><![if !supportLists]><span 3508 3461 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3509 3462 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Move … … 3514 3467 status bar.</p> 3515 3468 3516 <p class=MsoListParagraphCxSp Last style='text-indent:-.25in;mso-list:l7 level1 lfo19'><![if !supportLists]><span3469 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo20'><![if !supportLists]><span 3517 3470 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3471 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Use 3472 the Zoom and Pan buttons to focus on some section of the variance-covariance 3473 matrix. </p> 3474 3475 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo20'><![if !supportLists]><span 3476 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3518 3477 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3519 3478 class=GramE>Type ‘s’</span> – A color scheme selection dialog … … 3533 3492 3534 3493 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 3535 plot shows... <o:p></o:p></span></p> 3494 plot shows the line positions for the peak list<o:p></o:p></span></p> 3495 3496 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> 3497 3498 <h4><a name="Powder_Patterns"></a><span style='mso-fareast-font-family:"Times New Roman"'>Powder 3499 Patterns<o:p></o:p></span></h4> 3500 3501 <p class=MsoNormal>This plot shows….</p> 3536 3502 3537 3503 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> … … 3541 3507 3542 3508 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 3543 plot shows... <o:p></o:p></span></p> 3544 3545 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3509 plot shows the contributions to the powder pattern peak widths as </span><span 3510 class=SpellE><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span><span 3511 style='mso-fareast-font-family:"Times New Roman"'>d</span></span><span 3512 style='mso-fareast-font-family:"Times New Roman"'>/d (= </span><span 3513 class=SpellE><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span><span 3514 style='mso-fareast-font-family:"Times New Roman"'>q</span></span><span 3515 style='mso-fareast-font-family:"Times New Roman"'>/q) <span class=SpellE>vs</span> 3516 <span class=GramE>q(</span>=2</span><span style='font-family:Symbol;mso-fareast-font-family: 3517 "Times New Roman"'>p</span><span style='mso-fareast-font-family:"Times New Roman"'>/d) 3518 from the Gaussian and <span class=SpellE>Lorentzian</span> parts of the profile 3519 function. The computed curves are based on the values of U, V, W, X and Y shown 3520 in the Instrument Parameters window in parentheses. These are the values for 3521 the instrument contribution that were set when the powder pattern was first 3522 read in to GSAS-II. If individual peak fitting has been performed, the values 3523 of ‘sig’ & ‘<span class=SpellE>gam</span>’ for the 3524 peaks are plotted as ‘+’; these are computed from the fitted values 3525 of U, V, W, X and Y as well as any sig or <span class=SpellE>gam</span> 3526 individually refined.<o:p></o:p></span></p> 3546 3527 3547 3528 <h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4>
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